N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine

C120H96N2S4 — CID 170300116

IUPACN-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6c5sc5cc(CC(C)(C)c7cc(-c8cccc9cccc(-c%10ccccc%10N(c%10ccc(-c%11cccc%12sc%13ccccc%13c%11%12)cc%10)c%10cccc%11c%10sc%10ccccc%10%11)c89)cc(C(C)(C)C)c7)ccc56)c4)c4cccc5c4sc4ccccc45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C120H96N2S4/c1-117(2,3)81-66-79(67-82(71-81)118(4,5)6)88-42-23-31-76-33-26-47-97(111(76)88)92-38-13-18-52-103(92)122(105-54-29-50-100-94-40-15-20-56-107(94)125-116(100)105)86-36-22-35-78(70-86)90-45-27-48-98-95-64-59-74(65-110(95)126-114(90)98)73-120(10,11)84-69-80(68-83(72-84)119(7,8)9)89-43-24-32-77-34-25-46-96(112(77)89)91-37-12-17-51-102(91)121(104-53-28-49-99-93-39-14-19-55-106(93)124-115(99)104)85-62-60-75(61-63-85)87-44-30-58-109-113(87)101-41-16-21-57-108(101)123-109/h12-72H,73H2,1-11H3
InChIKeyQPNOJZJYKCGWND-UHFFFAOYSA-N
MW1694.37 g/mol
LogP36.82
Rot. Bonds15

About N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine

N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine (PubChem CID 170300116) has the molecular formula C120H96N2S4 and a molecular weight of 1694.37 g/mol. Its IUPAC name is N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
PubChem CID170300116
Molecular FormulaC120H96N2S4
Molecular Weight1694.37 g/mol
Exact Mass1692.65
IUPAC NameN-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6c5sc5cc(CC(C)(C)c7cc(-c8cccc9cccc(-c%10ccccc%10N(c%10ccc(-c%11cccc%12sc%13ccccc%13c%11%12)cc%10)c%10cccc%11c%10sc%10ccccc%10%11)c89)cc(C(C)(C)C)c7)ccc56)c4)c4cccc5c4sc4ccccc45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C120H96N2S4/c1-117(2,3)81-66-79(67-82(71-81)118(4,5)6)88-42-23-31-76-33-26-47-97(111(76)88)92-38-13-18-52-103(92)122(105-54-29-50-100-94-40-15-20-56-107(94)125-116(100)105)86-36-22-35-78(70-86)90-45-27-48-98-95-64-59-74(65-110(95)126-114(90)98)73-120(10,11)84-69-80(68-83(72-84)119(7,8)9)89-43-24-32-77-34-25-46-96(112(77)89)91-37-12-17-51-102(91)121(104-53-28-49-99-93-39-14-19-55-106(93)124-115(99)104)85-62-60-75(61-63-85)87-44-30-58-109-113(87)101-41-16-21-57-108(101)123-109/h12-72H,73H2,1-11H3
InChIKeyQPNOJZJYKCGWND-UHFFFAOYSA-N
XLogP36.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001694.37
LogP ≤ 536.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine with MolForge

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Related Compounds

N-(3-dibenzothiophen-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(4-phenylphenyl)aniline
CID 170296596
N-(2-dibenzothiophen-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170302040
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170301701
N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300378
N-(4-dibenzothiophen-1-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170301774
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294383
N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294488
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170302037
N-(3-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline
CID 170300132
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 170296566
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
CID 170301867
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-(3-phenanthren-1-ylphenyl)-N-phenylaniline
CID 170290977

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine (CID 170300116) is N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6c5sc5cc(CC(C)(C)c7cc(-c8cccc9cccc(-c%10ccccc%10N(c%10ccc(-c%11cccc%12sc%13ccccc%13c%11%12)cc%10)c%10cccc%11c%10sc%10ccccc%10%11)c89)cc(C(C)(C)C)c7)ccc56)c4)c4cccc5c4sc4ccccc45)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is QPNOJZJYKCGWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H96N2S4/c1-117(2,3)81-66-79(67-82(71-81)118(4,5)6)88-42-23-31-76-33-26-47-97(111(76)88)92-38-13-18-52-103(92)122(105-54-29-50-100-94-40-15-20-56-107(94)125-116(100)105)86-36-22-35-78(70-86)90-45-27-48-98-95-64-59-74(65-110(95)126-114(90)98)73-120(10,11)84-69-80(68-83(72-84)119(7,8)9)89-43-24-32-77-34-25-46-96(112(77)89)91-37-12-17-51-102(91)121(104-53-28-49-99-93-39-14-19-55-106(93)124-115(99)104)85-62-60-75(61-63-85)87-44-30-58-109-113(87)101-41-16-21-57-108(101)123-109/h12-72H,73H2,1-11H3.
What are the key properties of N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine?
N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 1694.37 g/mol, XLogP of 36.82, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-[3-tert-butyl-5-[1-[6-[3-[N-dibenzothiophen-4-yl-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]anilino]phenyl]dibenzothiophen-3-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 170300116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).